Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.39 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MPI | P34949 | 2/20 | 0.39 |
| ▸ | TYK2 | P29597 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3951891 | 0.82 | CA12 (0.40) | TDP1ALDH1A1KDM4EKMT2AAPOBEC3G | |
| SCHEMBL11933957 | 0.81 | CYP1B1 (0.44) | ALDH1A1KDM4EKMT2AAPOBEC3GAPOBEC3A | |
| SCHEMBL7774163 | 0.79 | ALDH1A1 (0.46) | TDP1ALDH1A1KDM4EKMT2AAPOBEC3G | |
| SCHEMBL30892213 | 0.78 | CA12 (0.56) | ALDH1A1KDM4EKMT2AL3MBTL1APOBEC3G | |
| SCHEMBL12878065 | 0.78 | MPI (0.46) | ALDH1A1KDM4EL3MBTL1APOBEC3GAPOBEC3A | |
| SCHEMBL12463621 | 0.78 | CA12 (0.56) | ALDH1A1KDM4EKMT2AL3MBTL1APOBEC3G | |
| SCHEMBL12878040 | 0.77 | ALDH1A1 (0.59) | ALDH1A1KDM4EKMT2AL3MBTL1ERN1 | |
| SCHEMBL10967015 | 0.77 | APLNR (0.41) | TDP1ALDH1A1KDM4EKMT2AAPOBEC3G | |
| SCHEMBL13266801 | 0.76 | OPRD1 (0.42) | ALDH1A1KDM4EKMT2AL3MBTL1APOBEC3G | |
| SCHEMBL13636916 | 0.76 | APOBEC3A (0.39) | ALDH1A1KDM4EKMT2AAPOBEC3GAPOBEC3A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2103596-A1 | Process for the preparation of N-(phenylethyl) anilines salts and solvates thereof useful as serotonin 5-HT6 antagonists | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2009-09-23 | — | — | EP | disclosed |
| US-7528163-B2 | N,N-Dibutyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]acetamide; potassium channel blocker; eye neuroprotectant; hypotensive agent; glaucoma, intraoccular pressure in the eye | MERCK & CO. INC. (US) | 2009-05-05 | — | — | US | disclosed |
| US-7410992-B2 | Ophthalmic compositions for treating ocular hypertension | MERCK & CO. INC. (US) | 2008-08-12 | — | — | US | disclosed |